| SpectraBase Compound ID | C9dQlknMy21 |
|---|---|
| InChI | InChI=1S/C18H13NO4/c1-11(20)23-16-9-5-8-13-14(18(21)22)10-15(19-17(13)16)12-6-3-2-4-7-12/h2-10H,1H3,(H,21,22) |
| InChIKey | QAQTYMFWBAFDDF-UHFFFAOYSA-N |
| Mol Weight | 307.31 g/mol |
| Molecular Formula | C18H13NO4 |
| Exact Mass | 307.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47dbaf6KFC |
|---|---|
| Name | 8-Hydroxy-2-phenylcinchoninic acid, acetate (ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.084457899 u |
| Formula | C18H13NO4 |
| InChI | InChI=1S/C18H13NO4/c1-11(20)23-16-9-5-8-13-14(18(21)22)10-15(19-17(13)16)12-6-3-2-4-7-12/h2-10H,1H3,(H,21,22) |
| InChIKey | QAQTYMFWBAFDDF-UHFFFAOYSA-N |
| SMILES | OC(C1=CC(=NC=2C(=CC=CC12)OC(C)=O)C=1C=CC=CC1)=O |